2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C27H36N4O4 — CID 55575041

IUPAC2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)ccc1OCc1ccncc1
InChIInChI=1S/C27H36N4O4/c1-3-34-25-18-23(7-8-24(25)35-20-22-9-11-28-12-10-22)27(33)30-16-14-29(15-17-30)19-26(32)31-13-5-4-6-21(31)2/h7-12,18,21H,3-6,13-17,19-20H2,1-2H3
InChIKeyAJLRTQCLPZKSMN-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 55575041) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID55575041
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)ccc1OCc1ccncc1
InChIInChI=1S/C27H36N4O4/c1-3-34-25-18-23(7-8-24(25)35-20-22-9-11-28-12-10-22)27(33)30-16-14-29(15-17-30)19-26(32)31-13-5-4-6-21(31)2/h7-12,18,21H,3-6,13-17,19-20H2,1-2H3
InChIKeyAJLRTQCLPZKSMN-UHFFFAOYSA-N
XLogP3.22
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55683741
(2R)-1-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125148741
N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 138996096
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 34986251
2-[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55564135
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 124592250
2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376290
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55544127
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55576530
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30798513
(4-ethoxy-3-nitrophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226700
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124573443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 55575041) is 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CCOc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)ccc1OCc1ccncc1.
What is the InChIKey of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is AJLRTQCLPZKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-3-34-25-18-23(7-8-24(25)35-20-22-9-11-28-12-10-22)27(33)30-16-14-29(15-17-30)19-26(32)31-13-5-4-6-21(31)2/h7-12,18,21H,3-6,13-17,19-20H2,1-2H3.
What are the key properties of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 480.61 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55575041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).